(2S)-2-azanyl-3-oxidanyl-propanoic acid; ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate

Systemtic Name: (2S)-2-azanyl-3-oxidanyl-propanoic acid; ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: (2S)-2-amino-3-hydroxy-propanoic acid; ethyl (2R)-2-(tert-butoxycarbonylamino)-4-phenyl-butanoate CAS Name: (2S)-2-amino-3-hydroxypropanoic acid; (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid; ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate Traditional Name: (2S)-2-amino-3-hydroxy-propionic acid; (2R)-2-(tert-butoxycarbonylamino)-4-phenyl-butyric acid ethyl ester Formula: C20H32N2O7 MolecularWeight: 412.47728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)OC(C)(C)C.C(C(C(=O)O)N)O

Isomeric SMILES

CCOC(=O)[C@@H](CCC1=CC=CC=C1)NC(=O)OC(C)(C)C.C([C@@H](C(=O)O)N)O

InChI

InChI=1S/C17H25NO4.C3H7NO3/c1-5-21-15(19)14(18-16(20)22-17(2,3)4)12-11-13-9-7-6-8-10-13;4-2(1-5)3(6)7/h6-10,14H,5,11-12H2,1-4H3,(H,18,20);2,5H,1,4H2,(H,6,7)/t14-;2-/m10/s1